Self-Consistent Strictly Localized Orbitals-Reference-Cited by-同舟云学术

Self-Consistent Strictly Localized Orbitals

Published:2007-03-23 Issue:3 Volume:3 Page:1047-1053
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Loos Pierre-François¹,Assfeld Xavier¹

Affiliation:

1. Equipe de Chimie et Biochimie Théoriques, UMR 7565 CNRS-UHP, Institut Jean Barriol (FR CNRS 2843), Faculté des Sciences et Techniques, Nancy-Université, B.P. 239, 54506 Vandœuvre-lès-Nancy Cedex, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct6003214

Reference46 articles.

1. Moreau, Y.; Assfeld, X. InLecture Series on Computer andComputational Sciences; Maroulis, G., Simos, T., Eds.; Koninklijke Brill NV: Leiden, The Netherlands, 2005; Vol. 3, pp 1−9.

2. Hybrid Quantum and Molecular Mechanical (QM/MM) Studies on the Pyruvate to l-Lactate Interconversion in l-Lactate Dehydrogenase

3. IMOMM: A new integratedab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states

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